tetrakis(1,1,1,3,3,3-hexafluoropropan-2-yl) silicate

C12H4F24O4Si — CID 11542124

IUPACtetrakis(1,1,1,3,3,3-hexafluoropropan-2-yl) silicate
SMILESFC(F)(F)C(O[Si](OC(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H4F24O4Si/c13-5(14,15)1(6(16,17)18)37-41(38-2(7(19,20)21)8(22,23)24,39-3(9(25,26)27)10(28,29)30)40-4(11(31,32)33)12(34,35)36/h1-4H
InChIKeyBBAPGYPPYPFUOP-UHFFFAOYSA-N
MW696.20 g/mol
LogP7.46
Rot. Bonds8

About tetrakis(1,1,1,3,3,3-hexafluoropropan-2-yl) silicate

tetrakis(1,1,1,3,3,3-hexafluoropropan-2-yl) silicate (PubChem CID 11542124) has the molecular formula C12H4F24O4Si and a molecular weight of 696.20 g/mol. Its IUPAC name is tetrakis(1,1,1,3,3,3-hexafluoropropan-2-yl) silicate.

Molecular Properties

Compound Nametetrakis(1,1,1,3,3,3-hexafluoropropan-2-yl) silicate
PubChem CID11542124
Molecular FormulaC12H4F24O4Si
Molecular Weight696.20 g/mol
Exact Mass695.95
IUPAC Nametetrakis(1,1,1,3,3,3-hexafluoropropan-2-yl) silicate
SMILESFC(F)(F)C(O[Si](OC(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H4F24O4Si/c13-5(14,15)1(6(16,17)18)37-41(38-2(7(19,20)21)8(22,23)24,39-3(9(25,26)27)10(28,29)30)40-4(11(31,32)33)12(34,35)36/h1-4H
InChIKeyBBAPGYPPYPFUOP-UHFFFAOYSA-N
XLogP7.46
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.20
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetrakis(1,1,1,3,3,3-hexafluoropropan-2-yl) silicate?
The IUPAC name of tetrakis(1,1,1,3,3,3-hexafluoropropan-2-yl) silicate (CID 11542124) is tetrakis(1,1,1,3,3,3-hexafluoropropan-2-yl) silicate.
What is the SMILES notation for tetrakis(1,1,1,3,3,3-hexafluoropropan-2-yl) silicate?
The canonical SMILES for tetrakis(1,1,1,3,3,3-hexafluoropropan-2-yl) silicate is FC(F)(F)C(O[Si](OC(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of tetrakis(1,1,1,3,3,3-hexafluoropropan-2-yl) silicate?
The InChIKey is BBAPGYPPYPFUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4F24O4Si/c13-5(14,15)1(6(16,17)18)37-41(38-2(7(19,20)21)8(22,23)24,39-3(9(25,26)27)10(28,29)30)40-4(11(31,32)33)12(34,35)36/h1-4H.
What are the key properties of tetrakis(1,1,1,3,3,3-hexafluoropropan-2-yl) silicate?
tetrakis(1,1,1,3,3,3-hexafluoropropan-2-yl) silicate has a molecular weight of 696.20 g/mol, XLogP of 7.46, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1,1,1,3,3,3-hexafluoropropan-2-yl) silicate is sourced from PubChem (CID 11542124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).